N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide

C19H21F3N2O4S — CID 91151565

IUPACN-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C19H21F3N2O4S/c1-13-5-8-15(28-13)12-23-18(25)17-4-2-3-11-24(17)29(26,27)16-9-6-14(7-10-16)19(20,21)22/h5-10,17H,2-4,11-12H2,1H3,(H,23,25)
InChIKeyGNBSTOPOEMAVLC-UHFFFAOYSA-N
MW430.45 g/mol
LogP3.47
Rot. Bonds5

About N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide

N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide (PubChem CID 91151565) has the molecular formula C19H21F3N2O4S and a molecular weight of 430.45 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide
PubChem CID91151565
Molecular FormulaC19H21F3N2O4S
Molecular Weight430.45 g/mol
Exact Mass430.12
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C19H21F3N2O4S/c1-13-5-8-15(28-13)12-23-18(25)17-4-2-3-11-24(17)29(26,27)16-9-6-14(7-10-16)19(20,21)22/h5-10,17H,2-4,11-12H2,1H3,(H,23,25)
InChIKeyGNBSTOPOEMAVLC-UHFFFAOYSA-N
XLogP3.47
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 39855262
N-[(5-methylfuran-2-yl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide
CID 46330248
tert-butyl (2R)-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxylate
CID 90891523
1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
CID 46330231
(2S)-1-[4-[(4-hydroxyphenyl)carbamoylamino]phenyl]sulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 139524558
ethyl 5-[[[1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carbonyl]amino]methyl]furan-2-carboxylate
CID 4242301
1-(4-methylphenyl)-3-[4-[(2S)-2-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-1-yl]sulfonylphenyl]propan-2-one
CID 158512249
1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide
CID 4669339
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284
1-(4-fluorophenyl)sulfonyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide
CID 46286356
(2R)-1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 1084870
(2S)-1-(4-fluorophenyl)sulfonyl-N-(2-oxopropyl)piperidine-2-carboxamide
CID 57063766

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide (CID 91151565) is N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide is Cc1ccc(CNC(=O)C2CCCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide?
The InChIKey is GNBSTOPOEMAVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O4S/c1-13-5-8-15(28-13)12-23-18(25)17-4-2-3-11-24(17)29(26,27)16-9-6-14(7-10-16)19(20,21)22/h5-10,17H,2-4,11-12H2,1H3,(H,23,25).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide?
N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide has a molecular weight of 430.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 91151565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).